#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m s GLN 4 N 0.00 0.85 -0.28 1.20 -1.52 -1.26 -5.01 119.66 113.64 3i1m s GLN 4 Ca 0.00 -0.01 0.03 0.00 -1.95 0.00 0.00 55.36 53.43 3i1m s GLN 4 Cb 0.00 0.40 0.07 0.00 -0.22 0.00 0.00 33.01 33.26 3i1m s GLN 4 CO 0.00 -0.31 -0.07 0.71 -0.25 0.00 0.00 175.29 175.37 3i1m s TYR 5 N -1.94 3.38 0.89 0.91 4.12 -1.17 -4.97 117.35 118.56 3i1m s TYR 5 Ca -0.02 -2.46 -0.13 0.00 0.02 0.00 0.00 57.07 54.48 3i1m s TYR 5 Cb -0.01 -2.16 0.20 0.00 -1.52 0.00 0.00 41.96 38.48 3i1m s TYR 5 CO -0.00 -0.89 1.21 0.98 0.02 0.00 0.00 175.55 176.87 3i1m n TYR 6 N 4.40 -3.80 0.00 2.71 4.19 -1.26 -1.80 117.16 121.61 3i1m n TYR 6 Ca -0.10 -1.24 0.00 0.00 3.31 0.00 0.00 57.90 59.87 3i1m n TYR 6 Cb 0.42 -0.93 0.00 0.00 0.49 0.00 0.00 39.34 39.32 3i1m n TYR 6 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i1m n GLY 7 N -3.14 0.32 0.00 2.98 0.00 -1.10 -3.82 105.19 100.43 3i1m n GLY 7 Ca 0.16 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3i1m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1m n THR 8 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -2.34 114.28 112.25 3i1m n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1m n THR 8 Cb 0.00 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 3i1m n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1m n GLY 9 N 0.41 -0.95 3.67 3.41 0.00 -1.25 -3.77 105.19 106.71 3i1m n GLY 9 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 3i1m n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1m s ARG 10 N -5.02 1.63 -0.30 1.61 1.70 -1.26 -2.27 118.95 115.05 3i1m s ARG 10 Ca 0.00 -1.18 -0.05 0.00 -0.47 0.00 0.00 55.73 54.03 3i1m s ARG 10 Cb 0.00 0.51 0.19 0.00 -0.57 0.00 0.00 34.95 35.08 3i1m s ARG 10 CO 0.00 -0.70 0.82 0.50 -1.08 0.00 0.00 175.30 174.84 3i1m s ARG 11 N -3.96 0.37 -0.48 3.89 6.06 -1.24 -4.55 118.95 119.03 3i1m s ARG 11 Ca 0.19 0.56 -0.19 0.00 -2.50 0.00 0.00 55.73 53.78 3i1m s ARG 11 Cb -0.02 0.30 0.03 0.00 0.06 0.00 0.00 34.95 35.31 3i1m s ARG 11 CO 0.09 -0.50 0.63 1.17 -2.50 0.00 0.00 175.30 174.18 3i1m n LYS 12 N 5.39 -2.13 -0.71 5.12 4.81 -1.26 -3.08 118.16 126.29 3i1m n LYS 12 Ca -0.00 1.84 0.00 0.00 -0.87 0.00 0.00 58.31 59.28 3i1m n LYS 12 Cb 0.54 -4.69 0.00 0.00 0.02 0.00 0.00 35.03 30.89 3i1m n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1m n SER 13 N -0.53 0.00 -4.87 3.14 2.88 -1.26 -4.53 113.62 108.45 3i1m n SER 13 Ca 0.04 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.37 3i1m n SER 13 Cb 0.53 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.78 3i1m n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i1m s SER 14 N -2.55 5.11 -0.29 -3.46 0.01 -1.18 -2.63 113.70 108.71 3i1m s SER 14 Ca 0.00 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.61 3i1m s SER 14 Cb 0.00 -0.65 0.20 0.00 0.21 0.00 0.00 66.02 65.77 3i1m s SER 14 CO 0.00 -0.59 0.60 0.00 0.41 0.00 0.00 173.24 173.66 3i1m s ALA 15 N -2.44 -2.37 -0.17 1.44 0.00 -0.81 -3.66 121.76 113.75 3i1m s ALA 15 Ca 0.47 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 3i1m s ALA 15 Cb -0.04 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 3i1m s ALA 15 CO 0.28 -1.66 -0.04 0.00 0.00 0.00 0.00 175.76 174.33 3i1m s ALA 16 N 2.84 2.92 -0.16 0.00 0.00 -0.96 -3.03 121.76 123.37 3i1m s ALA 16 Ca 0.14 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 3i1m s ALA 16 Cb -0.12 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 3i1m s ALA 16 CO -0.24 0.02 0.08 -0.98 0.00 0.00 0.00 175.76 174.64 3i1m s ARG 17 N 0.71 3.76 -0.10 0.00 1.70 0.34 -3.90 118.95 121.46 3i1m s ARG 17 Ca -0.02 -0.28 0.04 0.00 -0.47 0.00 0.00 55.73 55.00 3i1m s ARG 17 Cb -0.15 -3.19 -0.00 0.00 -0.57 0.00 0.00 34.95 31.05 3i1m s ARG 17 CO 0.02 0.46 -0.24 0.08 -1.08 0.00 0.00 175.30 174.54 3i1m s VAL 18 N -0.13 2.05 -0.18 4.99 1.01 -0.99 -1.77 120.40 125.38 3i1m s VAL 18 Ca 0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3i1m s VAL 18 Cb -0.12 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3i1m s VAL 18 CO 0.01 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.24 3i1m s PHE 19 N 0.32 2.93 -0.20 5.22 0.08 -0.87 -2.71 117.98 122.76 3i1m s PHE 19 Ca -0.18 -0.76 -0.04 0.00 0.12 0.00 0.00 56.93 56.07 3i1m s PHE 19 Cb -0.18 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 3i1m s PHE 19 CO 0.09 -0.37 -0.02 0.42 -0.10 0.00 0.00 175.22 175.23 3i1m s ILE 20 N 0.99 3.74 -0.00 0.64 1.01 -0.74 -2.48 121.20 124.35 3i1m s ILE 20 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3i1m s ILE 20 Cb -0.15 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3i1m s ILE 20 CO 0.00 0.44 -0.05 -0.75 0.00 0.00 0.00 174.94 174.57 3i1m s LYS 21 N 1.04 0.44 -0.33 2.79 2.36 -0.31 -3.05 119.74 122.68 3i1m s LYS 21 Ca 0.01 -0.21 -0.29 0.00 -2.55 0.00 0.00 55.97 52.93 3i1m s LYS 21 Cb -0.14 -0.42 -0.01 0.00 -1.05 0.00 0.00 37.83 36.21 3i1m s LYS 21 CO 0.01 0.11 1.69 -1.25 1.55 0.00 0.00 175.35 177.46 3i1m s PRO 22 N -0.18 3.45 0.00 4.03 0.04 -1.26 0.14 135.00 141.21 3i1m s PRO 22 Ca 0.02 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3i1m s PRO 22 Cb -0.02 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.38 3i1m s PRO 22 CO -0.00 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.73 3i1m n GLY 23 N 5.26 -0.15 3.24 0.56 0.00 0.99 -4.70 105.19 110.39 3i1m n GLY 23 Ca 0.21 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 3i1m n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1m s ASN 24 N 1.87 0.14 0.00 1.61 0.01 -1.25 -3.93 114.94 113.38 3i1m s ASN 24 Ca 0.00 -1.31 -0.05 0.00 -0.71 0.00 0.00 52.86 50.79 3i1m s ASN 24 Cb 0.00 0.39 -0.20 0.00 0.41 0.00 0.00 41.25 41.85 3i1m s ASN 24 CO 0.00 -0.86 3.03 0.61 -1.51 0.00 0.00 177.10 178.37 3i1m n GLY 25 N -0.26 2.68 3.71 0.66 0.00 -1.09 -2.31 105.19 108.58 3i1m n GLY 25 Ca 0.01 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 3i1m n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1m s LYS 26 N 1.11 2.28 -0.07 1.61 -2.85 -1.26 -4.93 119.74 115.62 3i1m s LYS 26 Ca 0.50 -1.64 -0.03 0.00 -1.00 0.00 0.00 55.97 53.81 3i1m s LYS 26 Cb 0.24 -2.09 0.04 0.00 -2.06 0.00 0.00 37.83 33.96 3i1m s LYS 26 CO 0.00 0.08 0.14 0.42 0.10 0.00 0.00 175.35 176.09 3i1m s ILE 27 N -2.47 -0.13 -0.35 3.79 1.09 -1.26 -3.10 121.20 118.76 3i1m s ILE 27 Ca 0.37 0.26 0.08 0.00 -1.10 0.00 0.00 60.65 60.26 3i1m s ILE 27 Cb -0.01 -0.24 0.64 0.00 -1.06 0.00 0.00 42.46 41.79 3i1m s ILE 27 CO 0.22 0.11 1.74 0.52 -0.10 0.00 0.00 174.94 177.42 3i1m n VAL 28 N 4.65 2.90 -1.61 2.92 0.31 -0.92 -3.61 118.33 122.97 3i1m n VAL 28 Ca -0.18 -2.05 -0.54 0.00 -0.01 0.00 0.00 64.34 61.56 3i1m n VAL 28 Cb 0.51 -0.38 -0.06 0.00 -0.91 0.00 0.00 33.84 32.99 3i1m n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1m n ILE 29 N -0.81 0.06 -3.32 2.52 3.06 -1.20 -0.96 119.36 118.71 3i1m n ILE 29 Ca 0.45 -0.01 -0.19 0.00 -2.50 0.00 0.00 62.75 60.50 3i1m n ILE 29 Cb 1.37 -0.82 -0.03 0.00 0.54 0.00 0.00 39.64 40.70 3i1m n ILE 29 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3i1m n ASN 30 N 3.05 -1.85 -2.63 9.51 4.13 -0.10 -1.22 115.26 126.15 3i1m n ASN 30 Ca 0.20 -0.24 -0.15 0.00 1.68 0.00 0.00 54.58 56.08 3i1m n ASN 30 Cb 0.16 -1.64 0.06 0.00 -1.54 0.00 0.00 39.78 36.82 3i1m n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1m n GLN 31 N -3.23 -5.13 -3.48 3.52 6.02 -0.13 -5.03 117.38 109.91 3i1m n GLN 31 Ca 0.03 0.57 -0.09 0.00 -0.01 0.00 0.00 57.00 57.50 3i1m n GLN 31 Cb 0.50 -4.81 -0.02 0.00 1.02 0.00 0.00 30.24 26.93 3i1m n GLN 31 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3i1m s ARG 32 N -5.55 0.92 0.84 -1.09 3.52 -0.36 -5.12 118.95 112.12 3i1m s ARG 32 Ca 0.26 -0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 55.38 3i1m s ARG 32 Cb -0.11 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 3i1m s ARG 32 CO 0.50 -0.40 0.39 0.45 -0.81 0.00 0.00 175.30 175.43 3i1m n SER 33 N -0.27 -1.90 0.02 -2.12 2.88 -1.26 -3.25 113.62 107.71 3i1m n SER 33 Ca -0.11 0.45 0.02 0.00 -1.33 0.00 0.00 58.87 57.90 3i1m n SER 33 Cb 0.62 -1.18 0.38 0.00 -0.75 0.00 0.00 64.21 63.28 3i1m n SER 33 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3i1m h LEU 34 N -0.97 0.45 -0.52 2.46 5.85 -1.91 -0.72 115.31 119.95 3i1m h LEU 34 Ca -0.44 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.07 3i1m h LEU 34 Cb 1.32 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3i1m h LEU 34 CO 0.37 0.42 -0.74 -0.33 -0.34 0.00 0.00 178.44 177.83 3i1m h GLU 35 N 0.49 0.05 -1.88 1.25 4.39 -1.89 -0.58 114.58 116.42 3i1m h GLU 35 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3i1m h GLU 35 Cb 0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3i1m h GLU 35 CO -0.01 0.76 0.00 1.04 -1.16 0.00 0.00 179.01 179.64 3i1m n GLN 36 N -3.70 0.86 0.23 2.33 1.13 -0.27 -3.91 117.38 114.05 3i1m n GLN 36 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3i1m n GLN 36 Cb 0.71 -1.07 0.00 0.00 0.11 0.00 0.00 30.24 29.99 3i1m n GLN 36 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3i1m n TYR 37 N 1.43 -4.70 -1.49 1.08 -0.00 -1.24 -4.57 117.16 107.67 3i1m n TYR 37 Ca 0.00 1.59 0.00 0.00 -0.00 0.00 0.00 57.90 59.49 3i1m n TYR 37 Cb 0.43 3.97 0.00 0.00 -0.00 0.00 0.00 39.34 43.74 3i1m n TYR 37 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.86 178.83 3i1m n PHE 38 N -3.43 0.00 -0.78 2.98 1.16 -1.22 -5.04 117.46 111.13 3i1m n PHE 38 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.40 3i1m n PHE 38 Cb 0.00 0.12 -0.06 0.00 -1.61 0.00 0.00 39.48 37.93 3i1m n PHE 38 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1m n GLY 39 N 0.00 2.91 0.00 4.97 0.00 -0.23 -1.26 105.19 111.58 3i1m n GLY 39 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3i1m n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1m n ARG 40 N 3.44 0.00 0.00 1.61 0.63 -1.25 -4.56 116.66 116.52 3i1m n ARG 40 Ca 0.42 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3i1m n ARG 40 Cb 0.36 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.27 3i1m n ARG 40 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i1m n GLU 41 N 0.00 3.43 -0.48 -0.14 4.71 -0.39 -4.64 120.64 123.12 3i1m n GLU 41 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 3i1m n GLU 41 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.41 3i1m n GLU 41 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3i1m n THR 42 N 0.00 1.82 0.00 2.62 -1.04 -1.26 -2.21 114.28 114.21 3i1m n THR 42 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 3i1m n THR 42 Cb 0.00 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 3i1m n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1m n ALA 43 N 1.72 0.00 -0.59 2.41 0.00 -1.26 -4.70 120.51 118.08 3i1m n ALA 43 Ca 0.05 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.96 3i1m n ALA 43 Cb 0.48 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.68 3i1m n ALA 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i1m h ARG 44 N 0.00 0.01 0.00 0.00 0.11 -1.62 -2.57 114.38 110.30 3i1m h ARG 44 Ca 0.00 -0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 3i1m h ARG 44 Cb 0.00 -0.00 -0.20 0.00 1.11 0.00 0.00 29.97 30.88 3i1m h ARG 44 CO 0.00 0.01 -0.63 0.00 0.10 0.00 0.00 179.97 179.45 3i1m n MET 45 N -4.31 0.00 0.09 0.08 0.00 -1.26 -3.91 117.12 107.81 3i1m n MET 45 Ca 0.42 -1.32 0.12 0.00 0.00 0.00 0.00 57.70 56.92 3i1m n MET 45 Cb 1.79 0.02 0.45 0.00 0.00 0.00 0.00 33.22 35.48 3i1m n MET 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3i1m n VAL 46 N 0.22 0.64 0.09 3.17 0.24 -0.97 -2.16 118.33 119.55 3i1m n VAL 46 Ca -0.04 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 3i1m n VAL 46 Cb 0.87 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 32.36 3i1m n VAL 46 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 3i1m h VAL 47 N 0.00 1.51 0.00 3.34 -1.51 -1.83 -3.29 116.25 114.47 3i1m h VAL 47 Ca 0.00 -2.84 -0.18 0.00 -1.23 0.00 0.00 66.70 62.46 3i1m h VAL 47 Cb 0.53 2.65 -0.03 0.00 -2.13 0.00 0.00 31.29 32.32 3i1m h VAL 47 CO 0.00 0.83 -0.84 -0.09 -1.23 0.00 0.00 177.57 176.24 3i1m h ARG 48 N 0.10 0.00 -0.94 5.19 1.12 -1.79 -3.38 114.38 114.68 3i1m h ARG 48 Ca -0.07 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 58.93 3i1m h ARG 48 Cb 1.69 0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 31.51 3i1m h ARG 48 CO 0.16 0.84 -0.41 1.04 -3.11 0.00 0.00 179.97 178.49 3i1m n GLN 49 N -3.33 -0.26 0.27 0.20 6.02 -0.92 0.57 117.38 119.93 3i1m n GLN 49 Ca 0.01 1.45 0.07 0.00 -0.01 0.00 0.00 57.00 58.51 3i1m n GLN 49 Cb 0.87 -2.14 0.39 0.00 1.02 0.00 0.00 30.24 30.38 3i1m n GLN 49 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3i1m h PRO 50 N 0.00 0.00 -2.38 -1.09 0.13 -1.80 0.36 132.00 127.22 3i1m h PRO 50 Ca 0.29 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.72 3i1m h PRO 50 Cb 0.53 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.31 3i1m h PRO 50 CO -0.93 0.00 0.18 1.28 -0.23 0.00 0.00 178.00 178.30 3i1m n LEU 51 N -2.42 5.65 0.00 1.56 4.77 0.19 -4.72 117.00 122.03 3i1m n LEU 51 Ca -0.01 -5.46 0.00 0.00 -0.03 0.00 0.00 56.01 50.51 3i1m n LEU 51 Cb 0.56 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3i1m n LEU 51 CO 0.06 2.08 0.00 -0.62 -1.33 0.00 0.00 177.39 177.58 3i1m n GLU 52 N 0.31 0.00 -0.29 3.23 1.02 0.11 -4.70 120.64 120.33 3i1m n GLU 52 Ca 0.35 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.52 3i1m n GLU 52 Cb 0.34 -0.19 0.14 0.00 -0.02 0.00 0.00 31.44 31.72 3i1m n GLU 52 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i1m n LEU 53 N -2.17 2.46 -2.88 -4.62 4.32 -1.26 -4.12 117.00 108.72 3i1m n LEU 53 Ca 0.00 -1.24 -0.19 0.00 -0.02 0.00 0.00 56.01 54.55 3i1m n LEU 53 Cb 0.00 -0.50 -0.01 0.00 -1.62 0.00 0.00 43.42 41.29 3i1m n LEU 53 CO 0.00 0.38 -0.04 1.33 -1.22 0.00 0.00 177.39 177.83 3i1m n VAL 54 N 0.23 1.30 0.00 4.08 0.24 -1.26 -5.12 118.33 117.80 3i1m n VAL 54 Ca 0.10 -4.50 0.00 0.00 -2.04 0.00 0.00 64.34 57.90 3i1m n VAL 54 Cb 0.52 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 3i1m n VAL 54 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i1m n ASP 55 N -0.05 0.00 0.00 -1.34 4.64 -1.26 -4.85 116.55 113.69 3i1m n ASP 55 Ca 0.25 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.66 3i1m n ASP 55 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.72 3i1m n ASP 55 CO 0.00 0.00 0.00 1.15 -0.82 0.00 0.00 177.20 177.53 3i1m n MET 56 N 0.00 0.00 0.00 -0.67 0.00 -1.26 -4.90 117.12 110.29 3i1m n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3i1m n MET 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3i1m n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i1m n VAL 57 N 0.00 0.00 -2.06 3.17 0.31 -1.26 -1.63 118.33 116.86 3i1m n VAL 57 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3i1m n VAL 57 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3i1m n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1m n GLU 58 N 0.00 0.00 -0.06 5.55 -0.58 -1.26 -2.67 120.64 121.62 3i1m n GLU 58 Ca 0.00 -0.69 -0.03 0.00 -0.42 0.00 0.00 57.16 56.02 3i1m n GLU 58 Cb 0.00 0.03 -0.01 0.00 -0.57 0.00 0.00 31.44 30.89 3i1m n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3i1m h LYS 59 N 0.12 0.00 -5.19 3.49 3.64 -1.43 -3.34 116.57 113.86 3i1m h LYS 59 Ca -0.17 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.75 3i1m h LYS 59 Cb 1.29 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.84 3i1m h LYS 59 CO -0.06 0.04 -0.80 -0.48 -2.27 0.00 0.00 179.45 175.88 3i1m s LEU 60 N -8.38 2.07 0.15 5.20 2.34 -1.26 -0.00 118.68 118.81 3i1m s LEU 60 Ca -0.08 -0.31 0.05 0.00 0.06 0.00 0.00 54.13 53.85 3i1m s LEU 60 Cb 0.01 -0.63 -0.04 0.00 -0.56 0.00 0.00 46.19 44.97 3i1m s LEU 60 CO 0.13 0.11 0.15 -0.62 -1.06 0.00 0.00 176.35 175.06 3i1m s ASP 61 N -0.58 5.63 -0.09 1.48 2.15 0.37 -4.06 116.67 121.57 3i1m s ASP 61 Ca 0.04 -0.08 -0.03 0.00 0.43 0.00 0.00 52.55 52.90 3i1m s ASP 61 Cb -0.06 -1.51 0.05 0.00 -0.30 0.00 0.00 42.92 41.10 3i1m s ASP 61 CO 0.00 0.08 0.16 -1.48 -0.17 0.00 0.00 175.17 173.76 3i1m s LEU 62 N -3.06 -0.07 -0.24 -1.34 2.34 -1.18 -1.17 118.68 113.97 3i1m s LEU 62 Ca 0.31 0.30 -0.13 0.00 0.06 0.00 0.00 54.13 54.67 3i1m s LEU 62 Cb -0.10 0.27 -0.04 0.00 -0.56 0.00 0.00 46.19 45.75 3i1m s LEU 62 CO 0.24 -0.25 0.28 -0.47 -1.06 0.00 0.00 176.35 175.09 3i1m s TYR 63 N 2.29 3.30 0.10 3.48 6.04 -1.03 -2.17 117.35 129.35 3i1m s TYR 63 Ca 0.03 0.37 0.07 0.00 0.04 0.00 0.00 57.07 57.58 3i1m s TYR 63 Cb -0.12 -2.43 -0.03 0.00 -1.04 0.00 0.00 41.96 38.34 3i1m s TYR 63 CO -0.06 -0.05 -0.18 0.42 -1.54 0.00 0.00 175.55 174.14 3i1m s ILE 64 N 1.45 1.48 0.08 3.14 1.01 -1.26 -2.05 121.20 125.05 3i1m s ILE 64 Ca 0.12 -1.49 0.06 0.00 0.00 0.00 0.00 60.65 59.34 3i1m s ILE 64 Cb -0.15 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3i1m s ILE 64 CO 0.08 -0.16 -0.15 -0.89 0.00 0.00 0.00 174.94 173.82 3i1m s THR 65 N -1.31 1.23 -0.25 2.92 2.01 -0.73 -0.92 115.64 118.58 3i1m s THR 65 Ca 0.04 -1.41 -0.26 0.00 0.31 0.00 0.00 61.69 60.38 3i1m s THR 65 Cb -0.09 -1.21 0.07 0.00 0.01 0.00 0.00 72.50 71.28 3i1m s THR 65 CO 0.04 -0.23 0.74 0.54 -0.69 0.00 0.00 174.62 175.01 3i1m s VAL 66 N -1.40 0.00 0.26 3.82 0.11 -1.26 -0.50 120.40 121.42 3i1m s VAL 66 Ca 0.01 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 3i1m s VAL 66 Cb -0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 3i1m s VAL 66 CO 0.03 0.00 0.11 -1.59 -3.33 0.00 0.00 175.10 170.32 3i1m s LYS 67 N 0.20 1.43 0.11 1.54 0.00 -1.17 -4.99 119.74 116.86 3i1m s LYS 67 Ca -0.01 -1.78 0.00 0.00 0.00 0.00 0.00 55.97 54.18 3i1m s LYS 67 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 37.83 37.58 3i1m s LYS 67 CO 0.01 -0.33 0.00 0.41 0.00 0.00 0.00 175.35 175.44 3i1m n GLY 68 N -0.48 -2.36 7.00 0.59 0.00 -1.26 -1.93 105.19 106.75 3i1m n GLY 68 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3i1m n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1m n GLY 69 N -2.71 0.48 0.00 -0.02 0.00 -1.08 -4.51 105.19 97.35 3i1m n GLY 69 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3i1m n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1m n GLY 70 N 0.00 5.81 0.00 -0.02 0.00 -1.26 -4.89 105.19 104.83 3i1m n GLY 70 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3i1m n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1m n ILE 71 N 0.00 0.00 0.36 -0.61 2.08 -1.26 -0.94 119.36 118.99 3i1m n ILE 71 Ca 0.00 1.25 0.13 0.00 0.56 0.00 0.00 62.75 64.69 3i1m n ILE 71 Cb 0.00 -1.90 0.31 0.00 -0.75 0.00 0.00 39.64 37.30 3i1m n ILE 71 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3i1m h SER 72 N 0.00 0.00 0.05 4.38 4.64 -1.99 -2.48 113.55 118.15 3i1m h SER 72 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i1m h SER 72 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i1m h SER 72 CO 0.00 0.00 -0.03 1.23 -0.87 0.00 0.00 176.83 177.16 3i1m h GLY 73 N 3.86 -0.07 0.51 -0.77 0.00 -1.86 -1.47 103.07 103.26 3i1m h GLY 73 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3i1m h GLY 73 CO 0.00 -0.03 -0.41 1.46 0.00 0.00 0.00 176.54 177.57 3i1m h GLN 74 N -0.55 -0.85 -0.88 4.80 4.20 -1.04 -2.32 115.11 118.47 3i1m h GLN 74 Ca -0.01 0.06 0.16 0.00 0.06 0.00 0.00 58.65 58.92 3i1m h GLN 74 Cb 0.49 0.19 -0.16 0.00 0.30 0.00 0.00 27.48 28.30 3i1m h GLN 74 CO 0.01 -0.57 -0.26 0.00 -0.67 0.00 0.00 178.83 177.35 3i1m n ALA 75 N -2.67 0.11 0.15 3.87 0.00 -0.94 0.13 120.51 121.17 3i1m n ALA 75 Ca -0.11 0.94 0.03 0.00 0.00 0.00 0.00 53.44 54.30 3i1m n ALA 75 Cb 0.39 -0.52 0.40 0.00 0.00 0.00 0.00 19.45 19.72 3i1m n ALA 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1m h GLY 76 N 0.00 0.15 0.84 0.00 0.00 -1.13 -1.86 103.07 101.08 3i1m h GLY 76 Ca 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3i1m h GLY 76 CO -0.90 0.09 -0.24 0.00 0.00 0.00 0.00 176.54 175.50 3i1m h ALA 77 N 1.67 -0.67 -0.88 3.60 0.00 0.16 -1.87 119.26 121.28 3i1m h ALA 77 Ca 0.02 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3i1m h ALA 77 Cb 0.43 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 3i1m h ALA 77 CO 0.03 -0.79 0.46 0.82 0.00 0.00 0.00 179.25 179.76 3i1m h ILE 78 N -0.84 0.70 -0.13 0.00 2.04 -1.27 0.54 117.51 118.55 3i1m h ILE 78 Ca -0.07 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3i1m h ILE 78 Cb 0.58 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3i1m h ILE 78 CO 0.11 0.11 -0.35 -0.09 0.00 0.00 0.00 178.15 177.94 3i1m h ARG 79 N 0.63 -0.33 0.00 2.37 1.12 -1.13 0.38 114.38 117.43 3i1m h ARG 79 Ca 0.49 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.38 3i1m h ARG 79 Cb 0.72 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.76 3i1m h ARG 79 CO -0.38 -0.22 -0.02 1.25 -3.11 0.00 0.00 179.97 177.50 3i1m h HIS 80 N -0.34 0.00 0.09 2.20 2.76 -0.43 -2.93 115.15 116.50 3i1m h HIS 80 Ca 0.03 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.93 3i1m h HIS 80 Cb 0.42 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.39 3i1m h HIS 80 CO -0.57 0.02 -1.14 0.78 -1.30 0.00 0.00 177.93 175.71 3i1m h GLY 81 N 0.11 0.48 0.62 5.26 0.00 0.24 -3.11 103.07 106.66 3i1m h GLY 81 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 3i1m h GLY 81 CO 0.00 0.88 -0.23 -2.22 0.00 0.00 0.00 176.54 174.98 3i1m h ILE 82 N 0.19 0.32 -1.10 2.60 2.04 -0.18 -2.06 117.51 119.32 3i1m h ILE 82 Ca -0.13 -0.52 0.31 0.00 1.00 0.00 0.00 64.86 65.52 3i1m h ILE 82 Cb 1.82 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 38.27 3i1m h ILE 82 CO 0.20 0.06 0.70 0.71 0.00 0.00 0.00 178.15 179.81 3i1m h THR 83 N -1.02 0.41 0.04 -0.27 1.35 -1.64 1.49 112.91 113.27 3i1m h THR 83 Ca -0.06 -0.11 -0.18 0.00 -0.55 0.00 0.00 66.41 65.50 3i1m h THR 83 Cb 0.58 0.05 0.02 0.00 -1.73 0.00 0.00 68.15 67.07 3i1m h THR 83 CO 0.11 0.06 -0.73 0.03 -0.25 0.00 0.00 175.52 174.73 3i1m h ARG 84 N 0.33 0.43 0.00 4.72 3.08 -1.56 -2.55 114.38 118.83 3i1m h ARG 84 Ca 0.66 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i1m h ARG 84 Cb 1.75 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.95 3i1m h ARG 84 CO -0.37 1.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 3i1m h ALA 85 N 0.28 1.00 -0.15 0.04 0.00 0.21 -2.25 119.26 118.38 3i1m h ALA 85 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i1m h ALA 85 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3i1m h ALA 85 CO 0.14 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.28 3i1m n LEU 86 N -2.30 1.07 0.07 0.00 7.94 0.48 -3.23 117.00 121.03 3i1m n LEU 86 Ca -0.00 -0.49 0.09 0.00 -1.11 0.00 0.00 56.01 54.50 3i1m n LEU 86 Cb 0.12 -0.10 0.38 0.00 0.53 0.00 0.00 43.42 44.35 3i1m n LEU 86 CO 0.14 0.24 0.77 1.15 -1.11 0.00 0.00 177.39 178.59 3i1m n MET 87 N -0.01 0.09 -0.08 1.96 0.00 -0.85 -4.07 117.12 114.16 3i1m n MET 87 Ca 0.12 0.38 -0.11 0.00 0.00 0.00 0.00 57.70 58.08 3i1m n MET 87 Cb 0.20 -1.69 -0.05 0.00 0.00 0.00 0.00 33.22 31.68 3i1m n MET 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 3i1m h GLU 88 N 0.00 -0.37 -0.44 3.17 -0.00 -1.81 -1.15 114.58 113.98 3i1m h GLU 88 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 59.36 59.45 3i1m h GLU 88 Cb 0.25 0.08 -0.05 0.00 -0.00 0.00 0.00 28.75 29.03 3i1m h GLU 88 CO 0.00 -0.25 0.14 1.88 -0.00 0.00 0.00 179.01 180.78 3i1m h TYR 89 N -0.38 0.24 0.00 2.06 0.05 -1.90 -3.47 116.97 113.56 3i1m h TYR 89 Ca 0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.92 3i1m h TYR 89 Cb 0.60 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3i1m h TYR 89 CO -0.58 0.07 0.00 -0.40 -1.05 0.00 0.00 178.16 176.21 3i1m n ASP 90 N -5.03 0.00 -0.09 3.88 3.85 -0.43 -4.94 116.55 113.78 3i1m n ASP 90 Ca 0.04 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 54.19 3i1m n ASP 90 Cb 0.18 0.00 0.39 0.00 -1.35 0.00 0.00 41.12 40.34 3i1m n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3i1m n GLU 91 N -0.32 1.12 -0.02 0.11 -0.58 -1.26 -3.65 120.64 116.04 3i1m n GLU 91 Ca 0.00 -0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.43 3i1m n GLU 91 Cb 0.00 -1.24 -0.10 0.00 -0.57 0.00 0.00 31.44 29.54 3i1m n GLU 91 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3i1m h SER 92 N 0.35 0.07 0.87 1.62 0.87 -1.93 -3.07 113.55 112.34 3i1m h SER 92 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 3i1m h SER 92 Cb 0.08 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3i1m h SER 92 CO 0.00 0.60 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 3i1m n LEU 93 N -4.77 0.40 -2.99 2.23 -0.00 -1.24 -3.70 117.00 106.93 3i1m n LEU 93 Ca -0.08 0.57 -0.36 0.00 -0.00 0.00 0.00 56.01 56.14 3i1m n LEU 93 Cb 0.30 -0.49 -0.01 0.00 -0.00 0.00 0.00 43.42 43.22 3i1m n LEU 93 CO 0.35 -0.30 1.70 -1.14 -0.00 0.00 0.00 177.39 177.99 3i1m n ARG 94 N -1.91 3.42 0.00 1.47 0.63 -1.16 -2.71 116.66 116.40 3i1m n ARG 94 Ca 0.04 -3.29 0.00 0.00 -0.92 0.00 0.00 57.85 53.68 3i1m n ARG 94 Cb 0.27 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 30.86 3i1m n ARG 94 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1m n SER 95 N 0.44 0.00 0.11 6.15 7.64 -1.24 -4.72 113.62 122.00 3i1m n SER 95 Ca 0.53 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.49 3i1m n SER 95 Cb 0.35 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.56 3i1m n SER 95 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3i1m h GLU 96 N 0.00 0.00 0.00 1.43 4.39 -1.78 -3.04 114.58 115.58 3i1m h GLU 96 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i1m h GLU 96 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3i1m h GLU 96 CO 0.00 0.08 0.00 1.25 -1.16 0.00 0.00 179.01 179.18 3i1m h LEU 97 N 0.00 0.00 -0.06 1.33 5.85 -1.83 -3.06 115.31 117.54 3i1m h LEU 97 Ca -0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3i1m h LEU 97 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3i1m h LEU 97 CO 0.01 0.00 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.82 3i1m h ARG 98 N 0.00 0.24 0.00 1.25 2.43 -1.80 -3.03 114.38 113.47 3i1m h ARG 98 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3i1m h ARG 98 Cb 0.64 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3i1m h ARG 98 CO 0.00 0.81 0.00 -0.22 -1.51 0.00 0.00 179.97 179.05 3i1m h LYS 99 N -0.28 0.00 0.00 0.20 3.64 -1.56 0.75 116.57 119.32 3i1m h LYS 99 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i1m h LYS 99 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3i1m h LYS 99 CO 0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 179.45 177.04 3i1m h ALA 100 N 2.03 0.90 0.00 5.00 0.00 -1.52 -3.47 119.26 122.21 3i1m h ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1m h ALA 100 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i1m h ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i1m n GLY 101 N 1.20 1.28 0.00 0.00 0.00 0.26 -4.90 105.19 103.03 3i1m n GLY 101 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3i1m n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1m n PHE 102 N -2.00 0.00 -0.01 1.61 3.72 -1.22 -2.60 117.46 116.96 3i1m n PHE 102 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3i1m n PHE 102 Cb 0.00 -0.13 -0.14 0.00 -0.94 0.00 0.00 39.48 38.27 3i1m n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3i1m h VAL 103 N 0.00 0.87 -3.41 -4.37 -1.51 -1.81 -3.40 116.25 102.62 3i1m h VAL 103 Ca 0.00 -2.69 -0.53 0.00 -1.23 0.00 0.00 66.70 62.25 3i1m h VAL 103 Cb 0.07 2.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 3i1m h VAL 103 CO 0.00 0.60 0.41 -0.89 -1.23 0.00 0.00 177.57 176.46 3i1m s THR 104 N -2.60 4.58 -0.23 7.19 2.01 -1.07 -5.01 115.64 120.51 3i1m s THR 104 Ca -0.07 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.56 3i1m s THR 104 Cb 0.08 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 3i1m s THR 104 CO 0.82 0.19 1.26 -0.60 -0.69 0.00 0.00 174.62 175.60 3i1m s ARG 105 N 0.75 4.09 -0.73 4.92 3.00 -1.26 -4.95 118.95 124.77 3i1m s ARG 105 Ca 0.52 1.45 -0.26 0.00 -1.00 0.00 0.00 55.73 56.45 3i1m s ARG 105 Cb -0.24 -3.81 -0.06 0.00 0.00 0.00 0.00 34.95 30.85 3i1m s ARG 105 CO 0.29 -0.89 2.06 -0.51 0.00 0.00 0.00 175.30 176.25 3i1m s ASP 106 N 2.30 4.88 0.00 -2.12 -0.00 -1.26 -4.81 116.67 115.65 3i1m s ASP 106 Ca 0.55 0.04 0.10 0.00 -0.00 0.00 0.00 52.55 53.23 3i1m s ASP 106 Cb -0.19 -2.54 0.47 0.00 -0.00 0.00 0.00 42.92 40.66 3i1m s ASP 106 CO 0.18 -2.82 1.24 0.00 -0.00 0.00 0.00 175.17 173.77 3i1m n ALA 107 N 14.61 1.56 -1.68 5.23 0.00 -1.26 -4.47 120.51 134.50 3i1m n ALA 107 Ca 0.34 -0.04 -0.46 0.00 0.00 0.00 0.00 53.44 53.28 3i1m n ALA 107 Cb 0.49 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 3i1m n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1m n ARG 108 N -1.36 2.23 -4.27 0.00 1.74 -1.26 -4.98 116.66 108.75 3i1m n ARG 108 Ca 0.04 0.81 -0.16 0.00 -0.77 0.00 0.00 57.85 57.77 3i1m n ARG 108 Cb 0.09 -2.60 -0.10 0.00 -1.02 0.00 0.00 32.46 28.83 3i1m n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i1m s GLN 109 N 1.43 1.12 0.01 5.56 -1.52 -1.26 -4.50 119.66 120.50 3i1m s GLN 109 Ca 0.80 -1.45 -0.36 0.00 -1.95 0.00 0.00 55.36 52.41 3i1m s GLN 109 Cb -0.66 -0.80 -0.14 0.00 -0.22 0.00 0.00 33.01 31.19 3i1m s GLN 109 CO 0.39 0.12 1.61 1.33 -0.25 0.00 0.00 175.29 178.50 3i1m n VAL 110 N -0.11 0.19 -2.66 1.09 0.24 -1.26 -4.92 118.33 110.90 3i1m n VAL 110 Ca -0.11 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 61.73 3i1m n VAL 110 Cb 0.60 -1.38 -0.02 0.00 -1.47 0.00 0.00 33.84 31.56 3i1m n VAL 110 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i1m s GLU 111 N 1.96 4.05 0.63 7.34 2.56 -1.26 -5.00 118.70 128.98 3i1m s GLU 111 Ca 0.87 1.03 -0.17 0.00 0.00 0.00 0.00 54.97 56.69 3i1m s GLU 111 Cb -0.81 -3.74 -0.06 0.00 2.00 0.00 0.00 34.13 31.52 3i1m s GLU 111 CO 0.48 -0.89 0.64 2.89 -0.56 0.00 0.00 175.26 177.81 3i1m n ARG 112 N 6.83 0.52 -1.52 4.30 1.85 -1.26 -4.68 116.66 122.70 3i1m n ARG 112 Ca 0.11 0.21 -0.32 0.00 -1.00 0.00 0.00 57.85 56.86 3i1m n ARG 112 Cb 0.47 -1.86 0.06 0.00 -1.05 0.00 0.00 32.46 30.09 3i1m n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3i1m s LYS 113 N -2.49 2.64 -0.06 2.89 2.20 -1.26 -4.03 119.74 119.63 3i1m s LYS 113 Ca 0.70 1.17 -0.03 0.00 -0.36 0.00 0.00 55.97 57.46 3i1m s LYS 113 Cb -0.40 -1.94 0.04 0.00 -1.51 0.00 0.00 37.83 34.01 3i1m s LYS 113 CO 0.53 -1.35 0.10 0.15 -0.36 0.00 0.00 175.35 174.42 3i1m s LYS 114 N -4.67 -0.04 0.05 4.03 1.02 -1.26 -4.78 119.74 114.09 3i1m s LYS 114 Ca 0.62 0.43 -0.33 0.00 0.02 0.00 0.00 55.97 56.71 3i1m s LYS 114 Cb -0.17 -0.47 -0.17 0.00 -0.52 0.00 0.00 37.83 36.50 3i1m s LYS 114 CO 0.51 -0.33 0.82 1.55 -0.92 0.00 0.00 175.35 176.97 3i1m n VAL 115 N 5.31 0.54 0.00 3.17 3.14 -1.26 -1.31 118.33 127.92 3i1m n VAL 115 Ca -0.04 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3i1m n VAL 115 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 3i1m n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1m n GLY 116 N 1.49 0.66 3.41 7.55 0.00 -1.26 -5.05 105.19 111.99 3i1m n GLY 116 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3i1m n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1m s LEU 117 N 0.00 2.57 0.43 0.99 1.43 -0.42 -4.67 118.68 119.00 3i1m s LEU 117 Ca 0.00 -1.06 0.22 0.00 -1.03 0.00 0.00 54.13 52.27 3i1m s LEU 117 Cb 0.00 -0.82 0.33 0.00 0.03 0.00 0.00 46.19 45.73 3i1m s LEU 117 CO 0.00 -0.13 1.60 -0.09 0.23 0.00 0.00 176.35 177.96 3i1m h ARG 118 N 2.40 0.00 0.00 1.70 2.43 -1.38 -3.44 114.38 116.09 3i1m h ARG 118 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3i1m h ARG 118 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3i1m h ARG 118 CO 0.63 0.05 0.00 0.36 -1.51 0.00 0.00 179.97 179.50 3i1m n LYS 119 N -3.11 0.00 0.00 0.20 2.85 -1.22 -5.01 118.16 111.87 3i1m n LYS 119 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 3i1m n LYS 119 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 3i1m n LYS 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1m n ALA 120 N 0.00 0.00 -0.08 0.58 0.00 -1.26 -2.96 120.51 116.80 3i1m n ALA 120 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3i1m n ALA 120 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3i1m n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1m n ARG 121 N 0.00 0.35 -1.33 0.00 5.12 -1.26 -4.52 116.66 115.02 3i1m n ARG 121 Ca 0.00 0.13 -0.52 0.00 -1.93 0.00 0.00 57.85 55.53 3i1m n ARG 121 Cb 0.00 -1.13 -0.07 0.00 -1.16 0.00 0.00 32.46 30.10 3i1m n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1m n ARG 122 N -3.53 0.00 -4.77 5.56 3.00 -1.15 -4.80 116.66 110.97 3i1m n ARG 122 Ca -0.31 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.21 3i1m n ARG 122 Cb 0.74 -1.28 -0.13 0.00 0.00 0.00 0.00 32.46 31.78 3i1m n ARG 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i1m s ARG 123 N 0.56 3.03 -0.18 -0.14 6.06 -1.26 -1.07 118.95 125.95 3i1m s ARG 123 Ca 0.80 -0.66 -0.35 0.00 -2.50 0.00 0.00 55.73 53.02 3i1m s ARG 123 Cb -1.13 -2.56 -0.12 0.00 0.06 0.00 0.00 34.95 31.20 3i1m s ARG 123 CO 0.53 0.41 1.91 -0.35 -2.50 0.00 0.00 175.30 175.31 3i1m n PRO 124 N 2.95 1.79 -1.63 5.12 -0.04 -1.26 -4.86 135.00 137.06 3i1m n PRO 124 Ca -0.18 0.63 -0.45 0.00 -0.04 0.00 0.00 63.50 63.46 3i1m n PRO 124 Cb 0.53 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.42 3i1m n PRO 124 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i1m n GLN 125 N 6.71 2.28 -4.03 0.54 0.00 -1.26 -4.97 117.38 116.65 3i1m n GLN 125 Ca 0.27 0.78 -0.23 0.00 -0.00 0.00 0.00 57.00 57.82 3i1m n GLN 125 Cb 0.25 -2.90 -0.03 0.00 0.00 0.00 0.00 30.24 27.56 3i1m n GLN 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 3i1m s PHE 126 N 5.53 3.30 1.40 3.69 -0.12 -1.26 -5.10 117.98 125.42 3i1m s PHE 126 Ca 0.95 -0.02 -0.21 0.00 -0.05 0.00 0.00 56.93 57.59 3i1m s PHE 126 Cb -0.53 -1.52 0.36 0.00 -0.63 0.00 0.00 43.02 40.70 3i1m s PHE 126 CO 0.44 0.49 0.93 -1.54 -0.05 0.00 0.00 175.22 175.50 3i1m s SER 127 N -3.65 -0.87 0.00 1.98 1.04 -1.26 -4.97 113.70 105.96 3i1m s SER 127 Ca 0.33 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.74 3i1m s SER 127 Cb -0.09 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.61 3i1m s SER 127 CO 0.27 -5.27 0.29 2.29 0.98 0.00 0.00 173.24 171.81 3i1m n LYS 128 N -5.58 0.00 0.00 4.02 -0.00 -1.26 -5.31 118.16 110.03 3i1m n LYS 128 Ca 0.11 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 3i1m n LYS 128 Cb 0.59 -0.79 0.00 0.00 -0.00 0.00 0.00 35.03 34.83 3i1m n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94